SCHEMBL4527439

SCHEMBL4527439

CCOC(=O)C1(C(=O)OCC)C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.53
TSHR P16473 2/20 0.53
ALDH1A1 P00352 7/20 0.50
KMT2A Q03164 4/20 0.50
LMNA P02545 2/20 0.50
USP2 O75604 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
POLB P06746 2/20 0.46
MAPT P10636 1/20 0.46
MCOLN3 Q8TDD5 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MMP2 P08253 6/20 0.44
ANPEP P15144 1/20 0.44
KDM4E B2RXH2 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13934757 1.00 GAA (0.53) GAATSHRALDH1A1KMT2ALMNA
SCHEMBL4538996 0.84 POLB (0.50) GAATSHRALDH1A1KMT2ALMNA
SCHEMBL13954448 0.81 TSHR (0.44) GAATSHRALDH1A1KMT2ALMNA
SCHEMBL4529643 0.77 MCOLN3 (0.49) GAATSHRALDH1A1KMT2ALMNA
SCHEMBL4539209 0.75 POLB (0.46) GAATSHRALDH1A1KMT2ALMNA
SCHEMBL13934758 0.74 MCOLN3 (0.46) GAATSHRALDH1A1KMT2ALMNA
SCHEMBL5162373 0.74 GAA (0.57) GAATSHRALDH1A1KMT2ALMNA
SCHEMBL13934760 0.74 MMP2 (0.43) GAATSHRALDH1A1KMT2ALMNA
SCHEMBL2991147 0.72 ALDH1A1 (0.55) GAATSHRALDH1A1KMT2ALMNA
SCHEMBL9685695 0.71 ALDH1A1 (0.67) GAATSHRALDH1A1KMT2ALMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054392-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-02-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090054392-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WNT1, CTNNB1, WNT3A GAA 3010/4885TSHR 2972/4885ALDH1A1 2250/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.